MULTI-INSTANCE GPU-BASED SYSTEM FOR DISCOVERING DRUG CANDIDATE

Abstract: a drug candidate discovery system may include: a project management module configured to create a project for adding a task to perform drug candidate discovery; a simulation management module configured to create a simulation on the created project; a simulation setting module configured to set a simulation workflow for the simulation based on input from a user, using a canvas area and a simulation setting area containing a protein structure data input area and a task module selection area, each containing one or more objects that can be dragged and dropped onto the canvas area and converted into a node; a simulation workflow management module configured to manage information on nodes that can precede or follow in the simulation workflow; and a simulation execution module configured to manage and execute a task for running the simulation workflow by dividing and allocating gpu resource to the respective nodes.

Inventor(s): Jae Mun CHOI, Young Bin PARK, Chul SUNG, Van Huong LE, Trong Tue TRAN, Yu Kyung YUN, Jin Hee PARK, Jonathan WILLIANTO, Nuzup SHADIEV

CPC Classification: G16C20/50 (Molecular design, e.g. of drugs)

Search for rejections for patent application number 20250166740